scholarly journals Parallel Implementation of the Polyhedral Homotopy Method

Author(s):  
J. Verschelde ◽  
Y. Zhuang
2019 ◽  
Author(s):  
Frédéric Célerse ◽  
Louis Lagardere ◽  
Étienne Derat ◽  
Jean-Philip Piquemal

This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.


2019 ◽  
Author(s):  
Frédéric Célerse ◽  
Louis Lagardere ◽  
Étienne Derat ◽  
Jean-Philip Piquemal

This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.


2014 ◽  
Vol 39 (8) ◽  
pp. 1374-1380
Author(s):  
Bin LIU ◽  
Jiu-Qiang SUN ◽  
Zhi-Qiang ZHAI ◽  
Zhuo LI ◽  
Chang-Hong WANG

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